N-[(2S,4R,6S)-2-benzyl-6-(pyridin-3-yl)oxan-4-yl]benzamide

• ChemBase ID: 732819
• Molecular Formular: C24H24N2O2
• Molecular Mass: 372.45956
• Monoisotopic Mass: 372.18377802
• SMILES: C(=O)(N[C@H]1C[C@H](O[C@H](C1)Cc1ccccc1)c1cnccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)N[C@@H]1C[C@H](Cc2ccccc2)O[C@@H](C1)c1cccnc1
• InChI: InChI=1S/C24H24N2O2/c27-24(19-10-5-2-6-11-19)26-21-15-22(14-18-8-3-1-4-9-18)28-23(16-21)20-12-7-13-25-17-20/h1-13,17,21-23H,14-16H2,(H,26,27)/t21-,22+,23+/m1/s1
• InChIKey: JADTUZTZQXJDAK-VJBWXMMDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6S)-2-benzyl-6-(pyridin-3-yl)oxan-4-yl]benzamide
• IUPAC Traditional name: N-[(2S,4R,6S)-2-benzyl-6-(pyridin-3-yl)oxan-4-yl]benzamide
• Synonyms: N-[(2S*,4R*,6S*)-2-benzyl-6-pyridin-3-yltetrahydro-2H-pyran-4-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.09543
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.591084
• LogD (pH = 7.4): 3.6474369
• Log P: 3.6482174
• Molar Refractivity: 109.6723 cm^3
• Polarizability: 42.39151 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.64
• LOG S: -2.87
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 5